1-Bromo-3-(isothiocyanatomethyl)benzene

Base Information

Chemical Name:1-Bromo-3-(isothiocyanatomethyl)benzene
CAS No.:3845-33-8
Molecular Formula:C8H6BrNS
Molecular Weight:228.112
Hs Code.:2930909090
DSSTox Substance ID:DTXSID80443113
Nikkaji Number:J449.896H
Mol file:3845-33-8.mol

Synonyms:1-bromo-3-(isothiocyanatomethyl)benzene;3845-33-8;Benzene, 1-bromo-3-(isothiocyanatomethyl)-;3-bromobenzyl isothiocyanate;SCHEMBL2338356;DTXSID80443113;AKOS010670523;EN300-3552023

Suppliers and Price of 1-Bromo-3-(isothiocyanatomethyl)benzene

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

Total 5 raw suppliers

Chemical Property of 1-Bromo-3-(isothiocyanatomethyl)benzene

Chemical Property:

Refractive Index:1.6070 (estimate)
PSA：44.45000
Density:1.6550 (rough estimate)
LogP:3.05190
Water Solubility.:24.41mg/L(25 oC)
XLogP3:4.2
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:2
Exact Mass:226.94043
Heavy Atom Count:11
Complexity:166

Purity/Quality:: 95% ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1=CC(=CC(=C1)Br)CN=C=S

Technology Process of 1-Bromo-3-(isothiocyanatomethyl)benzene

There total 3 articles about 1-Bromo-3-(isothiocyanatomethyl)benzene which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 98.0%